SCHEMBL6318924

SCHEMBL6318924

O=C(c1ccc(Cl)cc1)C(Cc1ccccc1)n1ccnc1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 14/20 0.57
CYP24A1 Q07973 4/20 0.56
CYP27B1 O15528 2/20 0.51
CYP19A1 P11511 2/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6201802 0.91 CYP24A1 (0.62) TBXA2RCYP24A1CYP19A1
SCHEMBL11239483 0.81 CYP19A1 (0.51) TBXA2RCYP24A1CYP27B1CYP19A1
SCHEMBL10247377 0.79 CYP24A1 (0.54) TBXA2RCYP24A1CYP19A1
SCHEMBL3945738 0.79 CYP24A1 (0.63) TBXA2RCYP24A1CYP19A1
Hydrochloric Acid SCHEMBL1776701 0.78 CYP24A1 (0.53) TBXA2RCYP24A1CYP19A1
SCHEMBL6202493 0.78 MAPT (0.60) CYP19A1
SCHEMBL10564669 0.76 CYP19A1 (0.53) CYP24A1CYP27B1CYP19A1
SCHEMBL11243475 0.74 CYP19A1 (0.51) TBXA2RCYP24A1CYP27B1CYP19A1
SCHEMBL11073325 0.74 CYP24A1 (0.57) TBXA2RCYP24A1CYP27B1CYP19A1
SCHEMBL9423713 0.73 TBXA2R (1.00) TBXA2R

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
CN-1681763-A Chemical compounds ASTRAZENECA AB (SE) 2005-10-12 CN disclosed